USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -6.3! K(o=-13!,f=-6.3) USER MOD Set 1.2: A 55 GLN : amide:sc= -7.05! K(o=-13!,f=-7) USER MOD Set 2.1: A 21 ASN : amide:sc= -7.99! C(o=-11!,f=-9.8!) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.72! C(o=-11!,f=-10!) USER MOD Set 3.1: A 33 SER OG : rot -81:sc= 1.04 USER MOD Set 3.2: A 41 SER OG : rot 63:sc= 1.42 USER MOD Set 4.1: A 32 GLN : amide:sc= 0.516 K(o=-0.27,f=-4.5) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 166:sc= -0.788 (180deg=-1.21) USER MOD Set 5.1: A 6 ASN : amide:sc= -3.68! C(o=-4.5!,f=-16!) USER MOD Set 5.2: A 7 LYS NZ :NH3+ 175:sc= 1.54 (180deg=0.311) USER MOD Set 5.3: A 9 GLN : amide:sc= -2.33! C(o=-4.5!,f=-12!) USER MOD Set 6.1: A 1 VAL N :NH3+ -179:sc= 1.02 (180deg=0.316) USER MOD Set 6.2: A 10 GLN : amide:sc= -1.61 K(o=-0.59,f=-5.6!) USER MOD Single : A 3 ASN : amide:sc= 0.454 K(o=0.45,f=-3!) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= 0.146 (180deg=-0.911) USER MOD Single : A 11 ASN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.876 K(o=0.88,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= 0.366 K(o=0.37,f=-5.4!) USER MOD Single : A 28 ASN : amide:sc= -2.5! K(o=-2.5!,f=0) USER MOD Single : A 39 SER OG : rot -69:sc= 0.659 USER MOD Single : A 40 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 43 ASN : amide:sc= 0.535 K(o=0.53,f=-0.01) USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 0.127 (180deg=-0.405!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.86 (180deg=1.83) USER MOD Single : A 58 LYS NZ :NH3+ -103:sc= -2.58! (180deg=-6.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.825 -9.303 -10.252 1.00 0.00 N ATOM 2 CA VAL A 1 7.268 -9.071 -10.393 1.00 0.00 C ATOM 3 C VAL A 1 8.057 -10.362 -10.178 1.00 0.00 C ATOM 4 O VAL A 1 7.980 -11.233 -11.039 1.00 0.00 O ATOM 5 CB VAL A 1 7.771 -7.902 -9.477 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.302 -7.657 -9.545 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.161 -6.555 -9.889 1.00 0.00 C ATOM 0 H1 VAL A 1 5.312 -8.414 -10.420 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.519 -10.015 -10.945 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.621 -9.645 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 1 7.450 -8.750 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 1 7.472 -8.225 -8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.568 -6.833 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.829 -8.558 -9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.585 -7.407 -10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.534 -5.770 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.440 -6.329 -10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.075 -6.608 -9.811 1.00 0.00 H new ATOM 19 N ASP A 2 8.808 -10.555 -9.086 1.00 0.00 N ATOM 20 CA ASP A 2 9.575 -11.769 -8.847 1.00 0.00 C ATOM 21 C ASP A 2 8.708 -12.987 -8.498 1.00 0.00 C ATOM 22 O ASP A 2 7.478 -12.966 -8.595 1.00 0.00 O ATOM 23 CB ASP A 2 10.637 -11.443 -7.744 1.00 0.00 C ATOM 24 CG ASP A 2 10.058 -10.942 -6.429 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.963 -11.339 -6.044 1.00 0.00 O ATOM 26 OD2 ASP A 2 10.685 -10.124 -5.767 1.00 0.00 O ATOM 0 H ASP A 2 8.896 -9.863 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 2 10.072 -12.068 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.224 -12.340 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.324 -10.691 -8.132 1.00 0.00 H new ATOM 31 N ASN A 3 9.343 -14.073 -8.052 1.00 0.00 N ATOM 32 CA ASN A 3 8.646 -15.314 -7.726 1.00 0.00 C ATOM 33 C ASN A 3 7.764 -15.211 -6.483 1.00 0.00 C ATOM 34 O ASN A 3 7.038 -16.139 -6.132 1.00 0.00 O ATOM 35 CB ASN A 3 9.707 -16.436 -7.573 1.00 0.00 C ATOM 36 CG ASN A 3 10.798 -16.045 -6.588 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.630 -15.188 -6.866 1.00 0.00 O ATOM 38 ND2 ASN A 3 10.841 -16.645 -5.414 1.00 0.00 N ATOM 0 H ASN A 3 10.352 -14.115 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 3 7.957 -15.543 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.222 -17.352 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.153 -16.651 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.565 -16.396 -4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.150 -17.358 -5.180 1.00 0.00 H new ATOM 45 N LYS A 4 7.837 -14.072 -5.799 1.00 0.00 N ATOM 46 CA LYS A 4 7.039 -13.778 -4.626 1.00 0.00 C ATOM 47 C LYS A 4 5.853 -12.873 -4.970 1.00 0.00 C ATOM 48 O LYS A 4 4.701 -13.205 -4.696 1.00 0.00 O ATOM 49 CB LYS A 4 7.963 -13.148 -3.567 1.00 0.00 C ATOM 50 CG LYS A 4 7.213 -12.254 -2.556 1.00 0.00 C ATOM 51 CD LYS A 4 8.175 -11.469 -1.648 1.00 0.00 C ATOM 52 CE LYS A 4 9.321 -10.761 -2.413 1.00 0.00 C ATOM 53 NZ LYS A 4 8.804 -10.061 -3.579 1.00 0.00 N ATOM 0 H LYS A 4 8.469 -13.314 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 4 6.606 -14.695 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.479 -13.942 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.728 -12.555 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.574 -11.555 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.560 -12.873 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.607 -10.723 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.607 -12.152 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.825 -10.055 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.066 -11.494 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.418 -9.250 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.784 -10.709 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.841 -9.723 -3.382 1.00 0.00 H new ATOM 67 N PHE A 5 6.165 -11.744 -5.623 1.00 0.00 N ATOM 68 CA PHE A 5 5.218 -10.694 -6.007 1.00 0.00 C ATOM 69 C PHE A 5 4.231 -11.147 -7.078 1.00 0.00 C ATOM 70 O PHE A 5 4.359 -10.889 -8.279 1.00 0.00 O ATOM 71 CB PHE A 5 6.012 -9.476 -6.549 1.00 0.00 C ATOM 72 CG PHE A 5 6.921 -8.584 -5.708 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.398 -7.943 -4.569 1.00 0.00 C ATOM 74 CD2 PHE A 5 8.273 -8.362 -6.035 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.215 -7.107 -3.786 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.094 -7.530 -5.260 1.00 0.00 C ATOM 77 CZ PHE A 5 8.560 -6.901 -4.131 1.00 0.00 C ATOM 0 H PHE A 5 7.121 -11.532 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 5 4.643 -10.436 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.633 -9.859 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.274 -8.813 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.364 -8.094 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.689 -8.846 -6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.805 -6.620 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.128 -7.377 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.181 -6.258 -3.525 1.00 0.00 H new ATOM 87 N ASN A 6 3.221 -11.817 -6.517 1.00 0.00 N ATOM 88 CA ASN A 6 2.116 -12.444 -7.235 1.00 0.00 C ATOM 89 C ASN A 6 0.730 -11.779 -7.075 1.00 0.00 C ATOM 90 O ASN A 6 0.614 -10.572 -7.221 1.00 0.00 O ATOM 91 CB ASN A 6 2.125 -13.916 -6.739 1.00 0.00 C ATOM 92 CG ASN A 6 1.509 -14.046 -5.357 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.597 -14.839 -5.191 1.00 0.00 O ATOM 94 ND2 ASN A 6 1.839 -13.247 -4.360 1.00 0.00 N ATOM 0 H ASN A 6 3.151 -11.941 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 6 2.273 -12.341 -8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.575 -14.541 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.150 -14.287 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.335 -13.301 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.598 -12.575 -4.474 1.00 0.00 H new ATOM 101 N LYS A 7 -0.329 -12.538 -6.752 1.00 0.00 N ATOM 102 CA LYS A 7 -1.729 -12.119 -6.605 1.00 0.00 C ATOM 103 C LYS A 7 -2.047 -10.763 -5.933 1.00 0.00 C ATOM 104 O LYS A 7 -1.868 -9.681 -6.508 1.00 0.00 O ATOM 105 CB LYS A 7 -2.431 -13.250 -5.827 1.00 0.00 C ATOM 106 CG LYS A 7 -2.436 -14.671 -6.411 1.00 0.00 C ATOM 107 CD LYS A 7 -3.229 -15.596 -5.451 1.00 0.00 C ATOM 108 CE LYS A 7 -2.434 -16.301 -4.322 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.601 -15.395 -3.541 1.00 0.00 N ATOM 0 H LYS A 7 -0.219 -13.536 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.083 -11.947 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.972 -13.303 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.469 -12.952 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.893 -14.672 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.415 -15.035 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.018 -15.004 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.717 -16.365 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.135 -16.803 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.803 -17.074 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.165 -15.916 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.856 -14.998 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.187 -14.623 -3.163 1.00 0.00 H new ATOM 123 N GLU A 8 -2.552 -10.803 -4.693 1.00 0.00 N ATOM 124 CA GLU A 8 -2.944 -9.629 -3.933 1.00 0.00 C ATOM 125 C GLU A 8 -1.808 -8.627 -3.858 1.00 0.00 C ATOM 126 O GLU A 8 -1.981 -7.433 -4.073 1.00 0.00 O ATOM 127 CB GLU A 8 -3.353 -10.104 -2.516 1.00 0.00 C ATOM 128 CG GLU A 8 -2.225 -10.774 -1.660 1.00 0.00 C ATOM 129 CD GLU A 8 -1.715 -12.073 -2.265 1.00 0.00 C ATOM 130 OE1 GLU A 8 -2.374 -13.089 -2.076 1.00 0.00 O ATOM 131 OE2 GLU A 8 -0.706 -12.084 -2.970 1.00 0.00 O ATOM 0 H GLU A 8 -2.699 -11.676 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.779 -9.126 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.738 -9.246 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.175 -10.813 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.394 -10.077 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.605 -10.971 -0.657 1.00 0.00 H new ATOM 138 N GLN A 9 -0.633 -9.164 -3.544 1.00 0.00 N ATOM 139 CA GLN A 9 0.625 -8.503 -3.439 1.00 0.00 C ATOM 140 C GLN A 9 0.856 -7.571 -4.636 1.00 0.00 C ATOM 141 O GLN A 9 1.093 -6.377 -4.477 1.00 0.00 O ATOM 142 CB GLN A 9 1.539 -9.665 -3.369 1.00 0.00 C ATOM 143 CG GLN A 9 2.655 -9.400 -2.431 1.00 0.00 C ATOM 144 CD GLN A 9 3.604 -10.555 -2.342 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.860 -11.243 -3.317 1.00 0.00 O ATOM 146 NE2 GLN A 9 4.131 -10.840 -1.179 1.00 0.00 N ATOM 0 H GLN A 9 -0.551 -10.161 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 9 0.746 -7.829 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.988 -10.548 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.935 -9.882 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.196 -8.511 -2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.252 -9.185 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.915 -10.263 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.758 -11.639 -1.085 1.00 0.00 H new ATOM 155 N GLN A 10 0.791 -8.054 -5.883 1.00 0.00 N ATOM 156 CA GLN A 10 0.965 -7.170 -7.028 1.00 0.00 C ATOM 157 C GLN A 10 -0.194 -6.217 -7.217 1.00 0.00 C ATOM 158 O GLN A 10 0.040 -5.033 -7.441 1.00 0.00 O ATOM 159 CB GLN A 10 1.234 -7.925 -8.342 1.00 0.00 C ATOM 160 CG GLN A 10 2.695 -8.394 -8.429 1.00 0.00 C ATOM 161 CD GLN A 10 3.596 -7.277 -8.873 1.00 0.00 C ATOM 162 OE1 GLN A 10 3.939 -7.097 -10.038 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.028 -6.512 -7.901 1.00 0.00 N ATOM 0 H GLN A 10 0.622 -9.033 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 10 1.853 -6.586 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.569 -8.786 -8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.007 -7.277 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.020 -8.763 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.772 -9.227 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.726 -6.686 -6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.667 -5.743 -8.103 1.00 0.00 H new ATOM 172 N ASN A 11 -1.445 -6.664 -7.132 1.00 0.00 N ATOM 173 CA ASN A 11 -2.579 -5.746 -7.300 1.00 0.00 C ATOM 174 C ASN A 11 -2.433 -4.510 -6.410 1.00 0.00 C ATOM 175 O ASN A 11 -2.541 -3.355 -6.820 1.00 0.00 O ATOM 176 CB ASN A 11 -3.876 -6.517 -7.009 1.00 0.00 C ATOM 177 CG ASN A 11 -4.216 -7.359 -8.217 1.00 0.00 C ATOM 178 OD1 ASN A 11 -5.114 -7.024 -8.975 1.00 0.00 O ATOM 179 ND2 ASN A 11 -3.542 -8.457 -8.501 1.00 0.00 N ATOM 0 H ASN A 11 -1.701 -7.635 -6.952 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.606 -5.377 -8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.751 -7.149 -6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.688 -5.823 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.777 -8.999 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.786 -8.764 -7.889 1.00 0.00 H new ATOM 186 N ALA A 12 -2.141 -4.852 -5.156 1.00 0.00 N ATOM 187 CA ALA A 12 -1.889 -3.920 -4.086 1.00 0.00 C ATOM 188 C ALA A 12 -0.686 -3.054 -4.399 1.00 0.00 C ATOM 189 O ALA A 12 -0.723 -1.857 -4.178 1.00 0.00 O ATOM 190 CB ALA A 12 -1.666 -4.756 -2.817 1.00 0.00 C ATOM 0 H ALA A 12 -2.074 -5.825 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.729 -3.239 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.470 -4.093 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.556 -5.351 -2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.813 -5.419 -2.963 1.00 0.00 H new ATOM 196 N PHE A 13 0.393 -3.635 -4.913 1.00 0.00 N ATOM 197 CA PHE A 13 1.587 -2.896 -5.301 1.00 0.00 C ATOM 198 C PHE A 13 1.258 -1.774 -6.281 1.00 0.00 C ATOM 199 O PHE A 13 1.620 -0.606 -6.121 1.00 0.00 O ATOM 200 CB PHE A 13 2.576 -3.909 -5.895 1.00 0.00 C ATOM 201 CG PHE A 13 3.934 -3.308 -6.215 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.836 -3.042 -5.168 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.304 -3.012 -7.543 1.00 0.00 C ATOM 204 CE1 PHE A 13 6.098 -2.486 -5.437 1.00 0.00 C ATOM 205 CE2 PHE A 13 5.567 -2.456 -7.812 1.00 0.00 C ATOM 206 CZ PHE A 13 6.465 -2.192 -6.761 1.00 0.00 C ATOM 0 H PHE A 13 0.463 -4.640 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 13 2.031 -2.406 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.707 -4.732 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.150 -4.331 -6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.556 -3.267 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.618 -3.212 -8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.784 -2.285 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.849 -2.230 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.434 -1.764 -6.972 1.00 0.00 H new ATOM 216 N TYR A 14 0.542 -2.183 -7.322 1.00 0.00 N ATOM 217 CA TYR A 14 0.076 -1.258 -8.343 1.00 0.00 C ATOM 218 C TYR A 14 -0.799 -0.165 -7.734 1.00 0.00 C ATOM 219 O TYR A 14 -0.517 1.021 -7.874 1.00 0.00 O ATOM 220 CB TYR A 14 -0.733 -2.070 -9.393 1.00 0.00 C ATOM 221 CG TYR A 14 0.200 -2.902 -10.285 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.217 -2.235 -11.010 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.088 -4.303 -10.412 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.104 -2.942 -11.840 1.00 0.00 C ATOM 225 CE2 TYR A 14 0.971 -5.023 -11.241 1.00 0.00 C ATOM 226 CZ TYR A 14 1.979 -4.341 -11.952 1.00 0.00 C ATOM 227 OH TYR A 14 2.823 -5.051 -12.744 1.00 0.00 O ATOM 0 H TYR A 14 0.272 -3.154 -7.480 1.00 0.00 H new ATOM 0 HA TYR A 14 0.930 -0.769 -8.813 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.438 -2.728 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.320 -1.390 -10.010 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.313 -1.163 -10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.683 -4.829 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.874 -2.418 -12.387 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.876 -6.095 -11.331 1.00 0.00 H new ATOM 0 HH TYR A 14 2.591 -6.002 -12.700 1.00 0.00 H new ATOM 237 N GLU A 15 -1.866 -0.557 -7.027 1.00 0.00 N ATOM 238 CA GLU A 15 -2.796 0.369 -6.376 1.00 0.00 C ATOM 239 C GLU A 15 -2.026 1.340 -5.470 1.00 0.00 C ATOM 240 O GLU A 15 -2.299 2.536 -5.364 1.00 0.00 O ATOM 241 CB GLU A 15 -3.851 -0.494 -5.646 1.00 0.00 C ATOM 242 CG GLU A 15 -5.269 0.132 -5.653 1.00 0.00 C ATOM 243 CD GLU A 15 -5.409 1.276 -4.667 1.00 0.00 C ATOM 244 OE1 GLU A 15 -5.146 2.415 -5.041 1.00 0.00 O ATOM 245 OE2 GLU A 15 -5.811 1.028 -3.532 1.00 0.00 O ATOM 0 H GLU A 15 -2.109 -1.538 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.318 1.010 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.893 -1.477 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.534 -0.647 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.498 0.492 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.003 -0.638 -5.416 1.00 0.00 H new ATOM 252 N ILE A 16 -0.997 0.806 -4.815 1.00 0.00 N ATOM 253 CA ILE A 16 -0.107 1.567 -3.956 1.00 0.00 C ATOM 254 C ILE A 16 0.570 2.627 -4.813 1.00 0.00 C ATOM 255 O ILE A 16 0.373 3.805 -4.541 1.00 0.00 O ATOM 256 CB ILE A 16 0.903 0.585 -3.290 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.362 0.137 -1.928 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.331 1.144 -3.116 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.999 -1.189 -1.482 1.00 0.00 C ATOM 0 H ILE A 16 -0.759 -0.184 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.639 2.074 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 16 0.994 -0.255 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.562 0.908 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.720 0.022 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.962 0.390 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.742 1.403 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.299 2.035 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.594 -1.479 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.776 -1.964 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.079 -1.065 -1.402 1.00 0.00 H new ATOM 271 N LEU A 17 1.339 2.291 -5.856 1.00 0.00 N ATOM 272 CA LEU A 17 1.972 3.296 -6.719 1.00 0.00 C ATOM 273 C LEU A 17 0.982 4.326 -7.279 1.00 0.00 C ATOM 274 O LEU A 17 1.255 5.521 -7.435 1.00 0.00 O ATOM 275 CB LEU A 17 2.708 2.570 -7.850 1.00 0.00 C ATOM 276 CG LEU A 17 3.901 1.748 -7.343 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.488 0.951 -8.511 1.00 0.00 C ATOM 278 CD2 LEU A 17 4.991 2.624 -6.707 1.00 0.00 C ATOM 0 H LEU A 17 1.538 1.327 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 17 2.673 3.869 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.011 1.911 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.058 3.301 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 17 3.539 1.077 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.337 0.364 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.727 0.284 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.819 1.638 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.811 1.993 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.363 3.335 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.573 3.166 -5.859 1.00 0.00 H new ATOM 290 N HIS A 18 -0.204 3.803 -7.558 1.00 0.00 N ATOM 291 CA HIS A 18 -1.362 4.539 -8.054 1.00 0.00 C ATOM 292 C HIS A 18 -1.871 5.622 -7.097 1.00 0.00 C ATOM 293 O HIS A 18 -2.578 6.533 -7.535 1.00 0.00 O ATOM 294 CB HIS A 18 -2.429 3.458 -8.382 1.00 0.00 C ATOM 295 CG HIS A 18 -3.856 3.977 -8.433 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.819 3.706 -7.568 1.00 0.00 N ATOM 297 CD2 HIS A 18 -4.383 4.768 -9.423 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.901 4.290 -8.018 1.00 0.00 C ATOM 299 NE2 HIS A 18 -5.647 4.930 -9.132 1.00 0.00 N ATOM 0 H HIS A 18 -0.395 2.808 -7.440 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.098 5.118 -8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.186 3.005 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.370 2.668 -7.633 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.735 3.151 -6.717 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.858 5.176 -10.274 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.868 4.250 -7.538 1.00 0.00 H new ATOM 307 N LEU A 19 -1.543 5.576 -5.801 1.00 0.00 N ATOM 308 CA LEU A 19 -1.967 6.610 -4.868 1.00 0.00 C ATOM 309 C LEU A 19 -1.440 7.990 -5.291 1.00 0.00 C ATOM 310 O LEU A 19 -0.227 8.227 -5.309 1.00 0.00 O ATOM 311 CB LEU A 19 -1.511 6.247 -3.442 1.00 0.00 C ATOM 312 CG LEU A 19 -2.062 4.941 -2.914 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.380 4.539 -1.605 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.581 4.978 -2.732 1.00 0.00 C ATOM 0 H LEU A 19 -0.986 4.832 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.056 6.666 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.422 6.199 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.806 7.050 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.842 4.187 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.798 3.597 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.310 4.421 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.546 5.313 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.925 4.016 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.844 5.764 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.058 5.180 -3.691 1.00 0.00 H new ATOM 326 N PRO A 20 -2.321 8.940 -5.647 1.00 0.00 N ATOM 327 CA PRO A 20 -1.932 10.272 -6.114 1.00 0.00 C ATOM 328 C PRO A 20 -1.565 11.272 -5.022 1.00 0.00 C ATOM 329 O PRO A 20 -0.986 12.320 -5.314 1.00 0.00 O ATOM 330 CB PRO A 20 -3.137 10.697 -6.945 1.00 0.00 C ATOM 331 CG PRO A 20 -4.287 10.139 -6.129 1.00 0.00 C ATOM 332 CD PRO A 20 -3.774 8.763 -5.701 1.00 0.00 C ATOM 0 HA PRO A 20 -0.998 10.244 -6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.199 11.780 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.108 10.279 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.514 10.770 -5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.200 10.063 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.178 8.467 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.058 7.989 -6.415 1.00 0.00 H new ATOM 340 N ASN A 21 -1.873 11.003 -3.747 1.00 0.00 N ATOM 341 CA ASN A 21 -1.565 11.950 -2.681 1.00 0.00 C ATOM 342 C ASN A 21 -1.038 11.281 -1.397 1.00 0.00 C ATOM 343 O ASN A 21 -1.337 11.603 -0.245 1.00 0.00 O ATOM 344 CB ASN A 21 -2.807 12.856 -2.508 1.00 0.00 C ATOM 345 CG ASN A 21 -4.035 12.019 -2.224 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.900 11.731 -3.045 1.00 0.00 O ATOM 347 ND2 ASN A 21 -4.091 11.586 -0.993 1.00 0.00 N ATOM 0 H ASN A 21 -2.330 10.146 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.717 12.578 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.641 13.559 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.963 13.447 -3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.867 10.994 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.359 11.840 -0.329 1.00 0.00 H new ATOM 354 N LEU A 22 -0.196 10.285 -1.656 1.00 0.00 N ATOM 355 CA LEU A 22 0.522 9.484 -0.684 1.00 0.00 C ATOM 356 C LEU A 22 1.800 9.102 -1.402 1.00 0.00 C ATOM 357 O LEU A 22 1.753 8.484 -2.466 1.00 0.00 O ATOM 358 CB LEU A 22 -0.208 8.208 -0.273 1.00 0.00 C ATOM 359 CG LEU A 22 0.686 7.422 0.699 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.157 6.695 1.758 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.608 6.403 0.023 1.00 0.00 C ATOM 0 H LEU A 22 0.013 10.002 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 22 0.659 10.048 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.159 8.452 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.436 7.603 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 22 1.322 8.177 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.500 6.147 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.734 7.424 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.836 5.998 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.204 5.893 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.008 5.673 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.270 6.917 -0.674 1.00 0.00 H new ATOM 373 N ASN A 23 2.958 9.442 -0.866 1.00 0.00 N ATOM 374 CA ASN A 23 4.216 9.139 -1.568 1.00 0.00 C ATOM 375 C ASN A 23 5.458 8.966 -0.700 1.00 0.00 C ATOM 376 O ASN A 23 6.460 8.390 -1.120 1.00 0.00 O ATOM 377 CB ASN A 23 4.454 10.170 -2.702 1.00 0.00 C ATOM 378 CG ASN A 23 5.545 9.668 -3.634 1.00 0.00 C ATOM 379 OD1 ASN A 23 5.305 8.952 -4.597 1.00 0.00 O ATOM 380 ND2 ASN A 23 6.797 9.969 -3.370 1.00 0.00 N ATOM 0 H ASN A 23 3.066 9.917 0.030 1.00 0.00 H new ATOM 0 HA ASN A 23 4.067 8.142 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.531 10.330 -3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.740 11.132 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.544 9.607 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.021 10.564 -2.573 1.00 0.00 H new ATOM 387 N GLU A 24 5.415 9.469 0.516 1.00 0.00 N ATOM 388 CA GLU A 24 6.476 9.461 1.465 1.00 0.00 C ATOM 389 C GLU A 24 6.726 8.078 2.077 1.00 0.00 C ATOM 390 O GLU A 24 6.747 7.007 1.466 1.00 0.00 O ATOM 391 CB GLU A 24 5.997 10.571 2.460 1.00 0.00 C ATOM 392 CG GLU A 24 4.716 10.189 3.313 1.00 0.00 C ATOM 393 CD GLU A 24 3.628 9.478 2.521 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.706 8.267 2.349 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.765 10.137 1.952 1.00 0.00 O ATOM 0 H GLU A 24 4.576 9.921 0.878 1.00 0.00 H new ATOM 0 HA GLU A 24 7.464 9.670 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.814 10.805 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.783 11.478 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.022 9.551 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.299 11.097 3.748 1.00 0.00 H new ATOM 402 N GLU A 25 6.832 8.199 3.376 1.00 0.00 N ATOM 403 CA GLU A 25 7.131 7.136 4.324 1.00 0.00 C ATOM 404 C GLU A 25 6.114 6.014 4.356 1.00 0.00 C ATOM 405 O GLU A 25 6.426 4.848 4.602 1.00 0.00 O ATOM 406 CB GLU A 25 7.366 7.786 5.700 1.00 0.00 C ATOM 407 CG GLU A 25 8.814 8.350 5.810 1.00 0.00 C ATOM 408 CD GLU A 25 9.290 9.009 4.518 1.00 0.00 C ATOM 409 OE1 GLU A 25 8.911 10.149 4.253 1.00 0.00 O ATOM 410 OE2 GLU A 25 9.999 8.348 3.756 1.00 0.00 O ATOM 0 H GLU A 25 6.705 9.099 3.838 1.00 0.00 H new ATOM 0 HA GLU A 25 8.035 6.622 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.646 8.590 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.197 7.051 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.855 9.078 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.496 7.541 6.073 1.00 0.00 H new ATOM 417 N GLN A 26 4.868 6.375 4.073 1.00 0.00 N ATOM 418 CA GLN A 26 3.788 5.423 4.010 1.00 0.00 C ATOM 419 C GLN A 26 4.060 4.588 2.766 1.00 0.00 C ATOM 420 O GLN A 26 4.090 3.364 2.820 1.00 0.00 O ATOM 421 CB GLN A 26 2.435 6.179 3.964 1.00 0.00 C ATOM 422 CG GLN A 26 2.420 7.362 4.968 1.00 0.00 C ATOM 423 CD GLN A 26 1.166 8.212 4.892 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.365 8.152 5.811 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.868 9.075 3.935 1.00 0.00 N ATOM 0 H GLN A 26 4.588 7.337 3.882 1.00 0.00 H new ATOM 0 HA GLN A 26 3.728 4.772 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.258 6.552 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.622 5.491 4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.521 6.969 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.288 7.994 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.489 9.182 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.017 9.633 3.999 1.00 0.00 H new ATOM 434 N ARG A 27 4.300 5.243 1.623 1.00 0.00 N ATOM 435 CA ARG A 27 4.626 4.550 0.369 1.00 0.00 C ATOM 436 C ARG A 27 5.754 3.549 0.579 1.00 0.00 C ATOM 437 O ARG A 27 5.687 2.391 0.175 1.00 0.00 O ATOM 438 CB ARG A 27 5.074 5.569 -0.668 1.00 0.00 C ATOM 439 CG ARG A 27 5.032 5.088 -2.146 1.00 0.00 C ATOM 440 CD ARG A 27 3.636 4.894 -2.774 1.00 0.00 C ATOM 441 NE ARG A 27 3.070 6.180 -3.182 1.00 0.00 N ATOM 442 CZ ARG A 27 2.674 6.422 -4.404 1.00 0.00 C ATOM 443 NH1 ARG A 27 1.526 6.003 -4.752 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.355 7.088 -5.276 1.00 0.00 N ATOM 0 H ARG A 27 4.274 6.259 1.541 1.00 0.00 H new ATOM 0 HA ARG A 27 3.736 4.020 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.446 6.455 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.093 5.875 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.581 5.808 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.568 4.141 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.709 4.233 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.973 4.410 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 27 2.981 6.918 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.945 5.495 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.186 6.175 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.269 7.466 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.978 7.236 -6.212 1.00 0.00 H new ATOM 458 N ASN A 28 6.803 4.044 1.236 1.00 0.00 N ATOM 459 CA ASN A 28 7.963 3.219 1.580 1.00 0.00 C ATOM 460 C ASN A 28 7.563 2.003 2.417 1.00 0.00 C ATOM 461 O ASN A 28 7.866 0.859 2.075 1.00 0.00 O ATOM 462 CB ASN A 28 9.002 4.035 2.385 1.00 0.00 C ATOM 463 CG ASN A 28 9.707 5.060 1.523 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.469 4.754 0.613 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.436 6.315 1.801 1.00 0.00 N ATOM 0 H ASN A 28 6.874 5.015 1.542 1.00 0.00 H new ATOM 0 HA ASN A 28 8.396 2.884 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.505 4.539 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.738 3.358 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.863 7.062 1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.798 6.542 2.564 1.00 0.00 H new ATOM 472 N ALA A 29 6.861 2.243 3.529 1.00 0.00 N ATOM 473 CA ALA A 29 6.430 1.192 4.444 1.00 0.00 C ATOM 474 C ALA A 29 5.625 0.134 3.703 1.00 0.00 C ATOM 475 O ALA A 29 5.851 -1.067 3.846 1.00 0.00 O ATOM 476 CB ALA A 29 5.601 1.833 5.569 1.00 0.00 C ATOM 0 H ALA A 29 6.576 3.179 3.817 1.00 0.00 H new ATOM 0 HA ALA A 29 7.299 0.694 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.270 1.060 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.212 2.562 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.732 2.332 5.141 1.00 0.00 H new ATOM 482 N PHE A 30 4.669 0.577 2.892 1.00 0.00 N ATOM 483 CA PHE A 30 3.873 -0.331 2.091 1.00 0.00 C ATOM 484 C PHE A 30 4.755 -1.095 1.113 1.00 0.00 C ATOM 485 O PHE A 30 4.615 -2.307 1.036 1.00 0.00 O ATOM 486 CB PHE A 30 2.712 0.429 1.427 1.00 0.00 C ATOM 487 CG PHE A 30 1.800 0.853 2.569 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.200 -0.105 3.425 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.547 2.207 2.789 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.365 0.308 4.482 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.723 2.620 3.834 1.00 0.00 C ATOM 492 CZ PHE A 30 0.125 1.677 4.689 1.00 0.00 C ATOM 0 H PHE A 30 4.431 1.562 2.776 1.00 0.00 H new ATOM 0 HA PHE A 30 3.416 -1.088 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.075 1.294 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.183 -0.206 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.384 -1.157 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.996 2.945 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.089 -0.426 5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.542 3.673 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.513 2.002 5.497 1.00 0.00 H new ATOM 502 N ILE A 31 5.666 -0.476 0.349 1.00 0.00 N ATOM 503 CA ILE A 31 6.546 -1.246 -0.539 1.00 0.00 C ATOM 504 C ILE A 31 7.287 -2.328 0.256 1.00 0.00 C ATOM 505 O ILE A 31 7.348 -3.492 -0.135 1.00 0.00 O ATOM 506 CB ILE A 31 7.570 -0.330 -1.256 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.868 0.606 -2.263 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.682 -1.142 -1.970 1.00 0.00 C ATOM 509 CD1 ILE A 31 7.840 1.620 -2.888 1.00 0.00 C ATOM 0 H ILE A 31 5.811 0.533 0.327 1.00 0.00 H new ATOM 0 HA ILE A 31 5.921 -1.717 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 31 8.044 0.275 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.410 0.010 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.062 1.140 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.376 -0.458 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.220 -1.744 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.232 -1.796 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.301 2.256 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.278 2.236 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.631 1.088 -3.416 1.00 0.00 H new ATOM 521 N GLN A 32 7.837 -1.960 1.414 1.00 0.00 N ATOM 522 CA GLN A 32 8.539 -2.844 2.308 1.00 0.00 C ATOM 523 C GLN A 32 7.675 -4.038 2.738 1.00 0.00 C ATOM 524 O GLN A 32 8.095 -5.198 2.642 1.00 0.00 O ATOM 525 CB GLN A 32 8.997 -1.816 3.378 1.00 0.00 C ATOM 526 CG GLN A 32 9.077 -2.338 4.760 1.00 0.00 C ATOM 527 CD GLN A 32 9.888 -3.602 4.912 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.053 -3.707 4.536 1.00 0.00 O ATOM 529 NE2 GLN A 32 9.244 -4.622 5.431 1.00 0.00 N ATOM 0 H GLN A 32 7.797 -1.000 1.756 1.00 0.00 H new ATOM 0 HA GLN A 32 9.388 -3.404 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.977 -1.433 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.308 -0.971 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.507 -1.568 5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.066 -2.526 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.277 -4.513 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.711 -5.524 5.528 1.00 0.00 H new ATOM 538 N SER A 33 6.458 -3.758 3.206 1.00 0.00 N ATOM 539 CA SER A 33 5.515 -4.801 3.597 1.00 0.00 C ATOM 540 C SER A 33 5.148 -5.654 2.392 1.00 0.00 C ATOM 541 O SER A 33 5.076 -6.864 2.505 1.00 0.00 O ATOM 542 CB SER A 33 4.242 -4.220 4.211 1.00 0.00 C ATOM 543 OG SER A 33 3.457 -5.285 4.751 1.00 0.00 O ATOM 0 H SER A 33 6.102 -2.809 3.323 1.00 0.00 H new ATOM 0 HA SER A 33 6.006 -5.414 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.494 -3.504 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.673 -3.679 3.455 1.00 0.00 H new ATOM 0 HG SER A 33 2.948 -5.713 4.032 1.00 0.00 H new ATOM 549 N LEU A 34 4.912 -5.077 1.213 1.00 0.00 N ATOM 550 CA LEU A 34 4.603 -5.828 -0.002 1.00 0.00 C ATOM 551 C LEU A 34 5.716 -6.813 -0.363 1.00 0.00 C ATOM 552 O LEU A 34 5.496 -7.926 -0.842 1.00 0.00 O ATOM 553 CB LEU A 34 4.390 -4.812 -1.157 1.00 0.00 C ATOM 554 CG LEU A 34 2.921 -4.476 -1.450 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.216 -5.724 -1.966 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.167 -3.902 -0.252 1.00 0.00 C ATOM 0 H LEU A 34 4.930 -4.067 1.075 1.00 0.00 H new ATOM 0 HA LEU A 34 3.701 -6.417 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.918 -3.890 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.845 -5.211 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 34 2.920 -3.690 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.172 -5.492 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.703 -6.065 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.268 -6.509 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.137 -3.690 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.176 -4.625 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.650 -2.981 0.074 1.00 0.00 H new ATOM 568 N LYS A 35 6.942 -6.339 -0.140 1.00 0.00 N ATOM 569 CA LYS A 35 8.179 -7.073 -0.344 1.00 0.00 C ATOM 570 C LYS A 35 8.372 -8.232 0.637 1.00 0.00 C ATOM 571 O LYS A 35 8.785 -9.310 0.215 1.00 0.00 O ATOM 572 CB LYS A 35 9.296 -6.017 -0.226 1.00 0.00 C ATOM 573 CG LYS A 35 10.735 -6.550 -0.284 1.00 0.00 C ATOM 574 CD LYS A 35 11.715 -5.477 0.240 1.00 0.00 C ATOM 575 CE LYS A 35 12.195 -5.768 1.674 1.00 0.00 C ATOM 576 NZ LYS A 35 11.090 -5.813 2.619 1.00 0.00 N ATOM 0 H LYS A 35 7.101 -5.391 0.202 1.00 0.00 H new ATOM 0 HA LYS A 35 8.180 -7.564 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.167 -5.289 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.165 -5.482 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.821 -7.457 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.991 -6.820 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.577 -5.422 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.229 -4.502 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.727 -6.719 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.905 -5.000 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.413 -6.238 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.748 -4.848 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.317 -6.385 2.223 1.00 0.00 H new ATOM 590 N ASP A 36 8.102 -8.054 1.933 1.00 0.00 N ATOM 591 CA ASP A 36 8.225 -9.142 2.909 1.00 0.00 C ATOM 592 C ASP A 36 6.984 -10.029 3.121 1.00 0.00 C ATOM 593 O ASP A 36 7.083 -11.253 3.211 1.00 0.00 O ATOM 594 CB ASP A 36 8.686 -8.520 4.261 1.00 0.00 C ATOM 595 CG ASP A 36 10.142 -8.081 4.249 1.00 0.00 C ATOM 596 OD1 ASP A 36 10.951 -8.582 3.472 1.00 0.00 O ATOM 597 OD2 ASP A 36 10.492 -7.159 4.975 1.00 0.00 O ATOM 0 H ASP A 36 7.796 -7.166 2.332 1.00 0.00 H new ATOM 0 HA ASP A 36 8.954 -9.836 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.056 -7.662 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.539 -9.248 5.058 1.00 0.00 H new ATOM 602 N ASP A 37 5.781 -9.463 3.199 1.00 0.00 N ATOM 603 CA ASP A 37 4.533 -10.182 3.451 1.00 0.00 C ATOM 604 C ASP A 37 3.660 -10.596 2.248 1.00 0.00 C ATOM 605 O ASP A 37 3.361 -9.792 1.356 1.00 0.00 O ATOM 606 CB ASP A 37 3.759 -9.378 4.471 1.00 0.00 C ATOM 607 CG ASP A 37 2.410 -9.990 4.810 1.00 0.00 C ATOM 608 OD1 ASP A 37 2.303 -10.809 5.723 1.00 0.00 O ATOM 609 OD2 ASP A 37 1.451 -9.625 4.133 1.00 0.00 O ATOM 0 H ASP A 37 5.643 -8.459 3.085 1.00 0.00 H new ATOM 0 HA ASP A 37 4.826 -11.168 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.351 -9.291 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.608 -8.368 4.091 1.00 0.00 H new ATOM 614 N PRO A 38 3.185 -11.860 2.225 1.00 0.00 N ATOM 615 CA PRO A 38 2.307 -12.394 1.178 1.00 0.00 C ATOM 616 C PRO A 38 0.866 -11.865 1.171 1.00 0.00 C ATOM 617 O PRO A 38 0.583 -10.947 0.400 1.00 0.00 O ATOM 618 CB PRO A 38 2.392 -13.915 1.388 1.00 0.00 C ATOM 619 CG PRO A 38 2.591 -14.035 2.889 1.00 0.00 C ATOM 620 CD PRO A 38 3.549 -12.889 3.200 1.00 0.00 C ATOM 0 HA PRO A 38 2.639 -12.067 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.484 -14.420 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.221 -14.355 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.650 -13.933 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.014 -15.001 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.428 -12.532 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.589 -13.195 3.090 1.00 0.00 H new ATOM 628 N SER A 39 -0.084 -12.389 1.962 1.00 0.00 N ATOM 629 CA SER A 39 -1.471 -11.915 1.922 1.00 0.00 C ATOM 630 C SER A 39 -1.943 -10.945 3.014 1.00 0.00 C ATOM 631 O SER A 39 -3.026 -10.380 2.834 1.00 0.00 O ATOM 632 CB SER A 39 -2.457 -13.101 1.814 1.00 0.00 C ATOM 633 OG SER A 39 -2.192 -13.904 0.662 1.00 0.00 O ATOM 0 H SER A 39 0.085 -13.138 2.633 1.00 0.00 H new ATOM 0 HA SER A 39 -1.472 -11.299 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.386 -13.716 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.478 -12.723 1.767 1.00 0.00 H new ATOM 0 HG SER A 39 -2.426 -13.403 -0.147 1.00 0.00 H new ATOM 639 N GLN A 40 -1.267 -10.645 4.136 1.00 0.00 N ATOM 640 CA GLN A 40 -1.839 -9.735 5.146 1.00 0.00 C ATOM 641 C GLN A 40 -1.903 -8.291 4.631 1.00 0.00 C ATOM 642 O GLN A 40 -2.824 -7.505 4.885 1.00 0.00 O ATOM 643 CB GLN A 40 -0.996 -9.764 6.455 1.00 0.00 C ATOM 644 CG GLN A 40 -0.865 -11.167 7.106 1.00 0.00 C ATOM 645 CD GLN A 40 -0.119 -11.113 8.431 1.00 0.00 C ATOM 646 OE1 GLN A 40 -0.672 -11.265 9.517 1.00 0.00 O ATOM 647 NE2 GLN A 40 1.187 -10.937 8.393 1.00 0.00 N ATOM 0 H GLN A 40 -0.343 -11.010 4.365 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.851 -10.083 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.002 -9.384 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.446 -9.083 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.858 -11.587 7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.342 -11.836 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.659 -10.810 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.726 -10.928 9.259 1.00 0.00 H new ATOM 656 N SER A 41 -0.860 -7.983 3.864 1.00 0.00 N ATOM 657 CA SER A 41 -0.626 -6.691 3.243 1.00 0.00 C ATOM 658 C SER A 41 -1.821 -6.147 2.483 1.00 0.00 C ATOM 659 O SER A 41 -1.942 -4.935 2.370 1.00 0.00 O ATOM 660 CB SER A 41 0.641 -6.732 2.377 1.00 0.00 C ATOM 661 OG SER A 41 1.759 -6.876 3.251 1.00 0.00 O ATOM 0 H SER A 41 -0.126 -8.659 3.652 1.00 0.00 H new ATOM 0 HA SER A 41 -0.469 -5.981 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.596 -7.563 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.731 -5.819 1.788 1.00 0.00 H new ATOM 0 HG SER A 41 1.690 -7.726 3.733 1.00 0.00 H new ATOM 667 N ALA A 42 -2.742 -6.955 1.949 1.00 0.00 N ATOM 668 CA ALA A 42 -3.915 -6.408 1.263 1.00 0.00 C ATOM 669 C ALA A 42 -4.788 -5.544 2.193 1.00 0.00 C ATOM 670 O ALA A 42 -5.344 -4.493 1.844 1.00 0.00 O ATOM 671 CB ALA A 42 -4.687 -7.578 0.637 1.00 0.00 C ATOM 0 H ALA A 42 -2.700 -7.974 1.977 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.596 -5.726 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.567 -7.197 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.045 -8.099 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.998 -8.269 1.420 1.00 0.00 H new ATOM 677 N ASN A 43 -4.889 -5.968 3.453 1.00 0.00 N ATOM 678 CA ASN A 43 -5.643 -5.212 4.457 1.00 0.00 C ATOM 679 C ASN A 43 -4.898 -3.890 4.665 1.00 0.00 C ATOM 680 O ASN A 43 -5.426 -2.785 4.756 1.00 0.00 O ATOM 681 CB ASN A 43 -5.720 -6.049 5.748 1.00 0.00 C ATOM 682 CG ASN A 43 -6.328 -7.407 5.444 1.00 0.00 C ATOM 683 OD1 ASN A 43 -7.535 -7.603 5.469 1.00 0.00 O ATOM 684 ND2 ASN A 43 -5.521 -8.399 5.132 1.00 0.00 N ATOM 0 H ASN A 43 -4.461 -6.826 3.803 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.666 -5.001 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.724 -6.173 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.322 -5.530 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.904 -9.319 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.513 -8.248 5.108 1.00 0.00 H new ATOM 691 N LEU A 44 -3.581 -4.052 4.712 1.00 0.00 N ATOM 692 CA LEU A 44 -2.650 -2.949 4.840 1.00 0.00 C ATOM 693 C LEU A 44 -2.643 -2.028 3.617 1.00 0.00 C ATOM 694 O LEU A 44 -2.270 -0.868 3.662 1.00 0.00 O ATOM 695 CB LEU A 44 -1.260 -3.485 5.205 1.00 0.00 C ATOM 696 CG LEU A 44 -1.204 -4.822 5.978 1.00 0.00 C ATOM 697 CD1 LEU A 44 0.253 -5.215 6.274 1.00 0.00 C ATOM 698 CD2 LEU A 44 -1.931 -4.705 7.324 1.00 0.00 C ATOM 0 H LEU A 44 -3.129 -4.965 4.661 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.987 -2.309 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.690 -3.602 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.751 -2.728 5.801 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.684 -5.575 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.272 -6.159 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.797 -5.326 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.724 -4.439 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.878 -5.658 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.457 -3.931 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.975 -4.443 7.152 1.00 0.00 H new ATOM 710 N LEU A 45 -3.091 -2.555 2.491 1.00 0.00 N ATOM 711 CA LEU A 45 -3.227 -1.843 1.217 1.00 0.00 C ATOM 712 C LEU A 45 -4.382 -0.896 1.432 1.00 0.00 C ATOM 713 O LEU A 45 -4.325 0.297 1.136 1.00 0.00 O ATOM 714 CB LEU A 45 -3.508 -2.765 0.007 1.00 0.00 C ATOM 715 CG LEU A 45 -4.103 -2.016 -1.218 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.084 -1.058 -1.834 1.00 0.00 C ATOM 717 CD2 LEU A 45 -4.654 -2.993 -2.263 1.00 0.00 C ATOM 0 H LEU A 45 -3.384 -3.530 2.429 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.291 -1.345 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.580 -3.253 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.198 -3.552 0.312 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.941 -1.418 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.532 -0.550 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.783 -0.320 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.210 -1.619 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.062 -2.433 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.851 -3.642 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.441 -3.599 -1.815 1.00 0.00 H new ATOM 729 N ALA A 46 -5.463 -1.490 1.957 1.00 0.00 N ATOM 730 CA ALA A 46 -6.629 -0.692 2.288 1.00 0.00 C ATOM 731 C ALA A 46 -6.152 0.410 3.239 1.00 0.00 C ATOM 732 O ALA A 46 -6.578 1.567 3.159 1.00 0.00 O ATOM 733 CB ALA A 46 -7.723 -1.584 2.912 1.00 0.00 C ATOM 0 H ALA A 46 -5.546 -2.488 2.153 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.079 -0.239 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.593 -0.975 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.010 -2.359 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.339 -2.049 3.820 1.00 0.00 H new ATOM 739 N GLU A 47 -5.216 0.053 4.135 1.00 0.00 N ATOM 740 CA GLU A 47 -4.681 1.085 5.038 1.00 0.00 C ATOM 741 C GLU A 47 -3.927 2.179 4.290 1.00 0.00 C ATOM 742 O GLU A 47 -4.182 3.363 4.495 1.00 0.00 O ATOM 743 CB GLU A 47 -3.812 0.502 6.175 1.00 0.00 C ATOM 744 CG GLU A 47 -4.700 -0.173 7.257 1.00 0.00 C ATOM 745 CD GLU A 47 -5.609 0.830 7.960 1.00 0.00 C ATOM 746 OE1 GLU A 47 -5.192 1.405 8.966 1.00 0.00 O ATOM 747 OE2 GLU A 47 -6.730 1.043 7.497 1.00 0.00 O ATOM 0 H GLU A 47 -4.832 -0.885 4.252 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.556 1.540 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.112 -0.226 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.218 1.296 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.308 -0.950 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.064 -0.663 7.994 1.00 0.00 H new ATOM 754 N ALA A 48 -2.993 1.837 3.407 1.00 0.00 N ATOM 755 CA ALA A 48 -2.258 2.815 2.603 1.00 0.00 C ATOM 756 C ALA A 48 -3.208 3.758 1.863 1.00 0.00 C ATOM 757 O ALA A 48 -3.035 4.981 1.813 1.00 0.00 O ATOM 758 CB ALA A 48 -1.403 2.062 1.575 1.00 0.00 C ATOM 0 H ALA A 48 -2.722 0.870 3.227 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.635 3.412 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.849 2.778 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.703 1.408 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.049 1.465 0.932 1.00 0.00 H new ATOM 764 N LYS A 49 -4.247 3.178 1.263 1.00 0.00 N ATOM 765 CA LYS A 49 -5.254 3.961 0.569 1.00 0.00 C ATOM 766 C LYS A 49 -5.967 4.931 1.516 1.00 0.00 C ATOM 767 O LYS A 49 -6.155 6.111 1.212 1.00 0.00 O ATOM 768 CB LYS A 49 -6.210 2.970 -0.106 1.00 0.00 C ATOM 769 CG LYS A 49 -7.356 3.650 -0.889 1.00 0.00 C ATOM 770 CD LYS A 49 -6.833 4.742 -1.847 1.00 0.00 C ATOM 771 CE LYS A 49 -7.921 5.399 -2.698 1.00 0.00 C ATOM 772 NZ LYS A 49 -8.933 5.997 -1.842 1.00 0.00 N ATOM 0 H LYS A 49 -4.408 2.171 1.247 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.797 4.598 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.642 2.337 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.638 2.317 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.901 2.898 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.063 4.092 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.329 5.512 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.085 4.303 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.480 6.161 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.379 4.657 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.816 5.452 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.602 5.990 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.106 6.978 -2.142 1.00 0.00 H new ATOM 786 N LYS A 50 -6.352 4.455 2.704 1.00 0.00 N ATOM 787 CA LYS A 50 -6.995 5.323 3.675 1.00 0.00 C ATOM 788 C LYS A 50 -6.030 6.375 4.169 1.00 0.00 C ATOM 789 O LYS A 50 -6.454 7.448 4.571 1.00 0.00 O ATOM 790 CB LYS A 50 -7.633 4.538 4.839 1.00 0.00 C ATOM 791 CG LYS A 50 -8.934 3.831 4.415 1.00 0.00 C ATOM 792 CD LYS A 50 -9.836 4.691 3.497 1.00 0.00 C ATOM 793 CE LYS A 50 -10.200 6.075 4.087 1.00 0.00 C ATOM 794 NZ LYS A 50 -10.945 6.838 3.097 1.00 0.00 N ATOM 0 H LYS A 50 -6.229 3.489 3.006 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.817 5.828 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.923 3.799 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.843 5.219 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.682 2.905 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.496 3.556 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.331 4.836 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.755 4.142 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.795 5.952 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.295 6.612 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.147 7.787 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.381 6.921 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.839 6.352 2.885 1.00 0.00 H new ATOM 808 N LEU A 51 -4.734 6.077 4.178 1.00 0.00 N ATOM 809 CA LEU A 51 -3.751 7.070 4.573 1.00 0.00 C ATOM 810 C LEU A 51 -3.744 8.178 3.536 1.00 0.00 C ATOM 811 O LEU A 51 -3.780 9.364 3.839 1.00 0.00 O ATOM 812 CB LEU A 51 -2.352 6.478 4.709 1.00 0.00 C ATOM 813 CG LEU A 51 -2.200 5.715 6.017 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.832 5.045 6.006 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.290 6.688 7.200 1.00 0.00 C ATOM 0 H LEU A 51 -4.348 5.169 3.920 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.028 7.457 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.154 5.810 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.611 7.276 4.663 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.990 4.971 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.692 4.488 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.768 4.362 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.055 5.805 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.181 6.137 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.496 7.430 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.258 7.189 7.186 1.00 0.00 H new ATOM 827 N ASN A 52 -3.712 7.784 2.261 1.00 0.00 N ATOM 828 CA ASN A 52 -3.756 8.720 1.136 1.00 0.00 C ATOM 829 C ASN A 52 -4.917 9.689 1.370 1.00 0.00 C ATOM 830 O ASN A 52 -4.818 10.917 1.355 1.00 0.00 O ATOM 831 CB ASN A 52 -3.883 7.883 -0.171 1.00 0.00 C ATOM 832 CG ASN A 52 -4.156 8.691 -1.432 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.305 8.876 -2.305 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.359 9.208 -1.599 1.00 0.00 N ATOM 0 H ASN A 52 -3.655 6.805 1.979 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.854 9.325 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.962 7.318 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.686 7.157 -0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.570 9.748 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.078 9.067 -0.889 1.00 0.00 H new ATOM 841 N ASP A 53 -6.045 9.057 1.634 1.00 0.00 N ATOM 842 CA ASP A 53 -7.280 9.759 1.941 1.00 0.00 C ATOM 843 C ASP A 53 -7.142 10.634 3.202 1.00 0.00 C ATOM 844 O ASP A 53 -7.621 11.763 3.268 1.00 0.00 O ATOM 845 CB ASP A 53 -8.352 8.640 2.047 1.00 0.00 C ATOM 846 CG ASP A 53 -8.515 7.879 0.732 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.863 8.175 -0.273 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.322 6.952 0.693 1.00 0.00 O ATOM 0 H ASP A 53 -6.132 8.041 1.642 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.563 10.481 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.072 7.943 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.308 9.079 2.333 1.00 0.00 H new ATOM 853 N ALA A 54 -6.452 10.137 4.230 1.00 0.00 N ATOM 854 CA ALA A 54 -6.198 10.858 5.471 1.00 0.00 C ATOM 855 C ALA A 54 -5.460 12.160 5.223 1.00 0.00 C ATOM 856 O ALA A 54 -5.807 13.180 5.817 1.00 0.00 O ATOM 857 CB ALA A 54 -5.423 9.973 6.457 1.00 0.00 C ATOM 0 H ALA A 54 -6.047 9.201 4.219 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.163 11.110 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.242 10.527 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.006 9.079 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.470 9.683 6.014 1.00 0.00 H new ATOM 863 N GLN A 55 -4.429 12.159 4.377 1.00 0.00 N ATOM 864 CA GLN A 55 -3.785 13.442 4.117 1.00 0.00 C ATOM 865 C GLN A 55 -4.649 14.311 3.209 1.00 0.00 C ATOM 866 O GLN A 55 -4.893 15.482 3.503 1.00 0.00 O ATOM 867 CB GLN A 55 -2.322 13.330 3.588 1.00 0.00 C ATOM 868 CG GLN A 55 -1.993 12.234 2.576 1.00 0.00 C ATOM 869 CD GLN A 55 -1.500 10.959 3.204 1.00 0.00 C ATOM 870 OE1 GLN A 55 -1.459 10.728 4.404 1.00 0.00 O ATOM 871 NE2 GLN A 55 -1.098 10.059 2.344 1.00 0.00 N ATOM 0 H GLN A 55 -4.045 11.348 3.892 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.695 13.931 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.059 14.287 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.668 13.193 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.884 12.017 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.236 12.605 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.134 10.257 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.748 9.159 2.673 1.00 0.00 H new ATOM 880 N ALA A 56 -5.097 13.761 2.086 1.00 0.00 N ATOM 881 CA ALA A 56 -5.973 14.466 1.157 1.00 0.00 C ATOM 882 C ALA A 56 -7.489 14.234 1.399 1.00 0.00 C ATOM 883 O ALA A 56 -7.984 14.728 2.412 1.00 0.00 O ATOM 884 CB ALA A 56 -5.458 14.156 -0.249 1.00 0.00 C ATOM 0 H ALA A 56 -4.863 12.812 1.794 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.923 15.543 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.082 14.662 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.429 14.504 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.495 13.080 -0.421 1.00 0.00 H new ATOM 890 N PRO A 57 -8.331 13.549 0.582 1.00 0.00 N ATOM 891 CA PRO A 57 -9.759 13.336 0.869 1.00 0.00 C ATOM 892 C PRO A 57 -10.010 12.103 1.747 1.00 0.00 C ATOM 893 O PRO A 57 -10.018 10.972 1.258 1.00 0.00 O ATOM 894 CB PRO A 57 -10.369 13.233 -0.529 1.00 0.00 C ATOM 895 CG PRO A 57 -9.316 12.405 -1.248 1.00 0.00 C ATOM 896 CD PRO A 57 -7.994 12.964 -0.718 1.00 0.00 C ATOM 0 HA PRO A 57 -10.207 14.135 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.342 12.742 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.510 14.211 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.420 11.343 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.392 12.513 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.245 12.179 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.581 13.713 -1.394 1.00 0.00 H new ATOM 904 N LYS A 58 -10.246 12.288 3.046 1.00 0.00 N ATOM 905 CA LYS A 58 -10.439 11.169 3.966 1.00 0.00 C ATOM 906 C LYS A 58 -11.816 10.504 3.962 1.00 0.00 C ATOM 907 O LYS A 58 -12.841 11.166 3.792 1.00 0.00 O ATOM 908 CB LYS A 58 -10.099 11.667 5.391 1.00 0.00 C ATOM 909 CG LYS A 58 -11.069 12.756 5.909 1.00 0.00 C ATOM 910 CD LYS A 58 -11.650 12.452 7.310 1.00 0.00 C ATOM 911 CE LYS A 58 -12.312 11.064 7.458 1.00 0.00 C ATOM 912 NZ LYS A 58 -13.227 10.806 6.359 1.00 0.00 N ATOM 913 OXT LYS A 58 -11.882 9.308 4.262 1.00 0.00 O ATOM 0 H LYS A 58 -10.308 13.206 3.485 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.775 10.379 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.115 10.820 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.083 12.063 5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.545 13.711 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.890 12.866 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.849 12.535 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.387 13.217 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.544 10.291 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.850 11.012 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.206 10.940 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.027 11.464 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.104 9.828 6.027 1.00 0.00 H new TER 927 LYS A 58